terclim by ICS banner
IVES 9 IVES Conference Series 9 REVEALING THE ORIGIN OF BORDEAUX WINES WITH RAW 1D-CHROMATOGRAMS

REVEALING THE ORIGIN OF BORDEAUX WINES WITH RAW 1D-CHROMATOGRAMS

Abstract

Understanding the composition of wine and how it is influenced by climate or wine-making practices is a challenging issue. Two approaches are typically used to explore this issue. The first approach uses che-mical fingerprints, which require advanced tools such as high-resolution mass spectrometry and mul-tidimensional chromatography. The second approach is the targeted method, which relies on the widely available 1-D GC/MS, but involves integrating the areas under a few peaks which ends up using only a small fraction of the chromatogram.

Here, we employ state-of-the-art machine learning methods to optimize the analysis of 1-D GC/MS chromatograms. Specifically, we aim to determine whether these chromatograms contain valuable in-formation beyond the manually extracted peaks typically utilized in the targeted approach.

To explore those questions, we analyzed 4 different types of 1-D raw chromatograms (3 SIM and 1 full-scan) of 80 wines (12 vintages from 7 estates of the Bordeaux area. We first applied nonlinear dimensio-nality reduction techniques (T-SNE and UMAP) to the chromatograms to obtain 2D maps. In the resul-ting maps, wines of the same estates across multiple vintages tended to form clear clusters, whose spatial distribution reflected the geography of the Bordeaux wine region. This indicated that, for this particular set of wine, the raw chromatograms are highly informative about terroir and wine identity.

Next, we applied cross-validated classifiers to the raw chromatograms and found that we could recover perfectly well estates identity independent of vintage. By contrast, performance on vintage classifica-tion was much lower with a maximum performance of 50% correct.

Crucially, we found that the entire chromatogram is informative with respect to both of these variables. Thus, the extraction of specific peaks of the chromatogram to quantify the concentration of 32 known chemical compounds–discarding the rest of the chromatograms–led to worse classification perfor-mance, suggesting that estate identity is distributed over a large chemical spectrum, including many molecules that have yet to be identified.

In addition, the GC raw data can be used to predict the ratings of a professional wine critic (Robert Par-ker) above chance, thus suggesting that GC might also contain information about the organoleptic pro-perties of wine.

Overall, this study demonstrates the strong potential of raw chromatogram analysis for wine characte-rization and identification.

DOI:

Publication date: February 9, 2024

Issue: OENO Macrowine 2023

Type: Article

Authors

Michael Schartner¹, Jeff M. Beck², Justine Laboyrie³, Laurent Riquier³, Stephanie Marchand3*, Alexandre Pouget4*

1. Center for the Unknown. Champalimaud Institute. Lisbon. Portugal. 
2. Duke university. USA
3. Université de Bordeaux, ISVV, INRAE, UMR 1366 OENOLOGIE, 33140 Villenave d’Ornon, France
4. Département des neurosciences fondamentales. Université de Genève. Suisse. 

Contact the author*

Keywords

Machine learning, Wine composition, Sensorial classification, Terroir

Tags

IVES Conference Series | oeno macrowine 2023 | oeno-macrowine

Citation

Related articles…

INOCULATION OF THE SELECTED METSCHNIKOWIA PULCHERRIMA MP1 AS A BIOPROTECTIVE ALTERNATIVE TO SULFITES TO PREVENT BROWNING OF WHITE GRAPE MUST

Enzymatic browning (BE) of must is caused by polyphenol oxidases (PPOs), tyrosinase and laccase. Both PPOs can oxidize diphenols such as hydroxycinnamic acids (HA) to quinones, which can later polymerize to form melanins [1], which are responsible of BE in white wines and of oxidasic haze in red wines. SO₂ is the main tool used to protect must from BE thanks to its capacity to inhibit PPOs [2]. However, the current trend in winemaking is to reduce and even eliminate this unfriendly additive. Among the different possible alternatives for protecting must against BE, the inoculation with a selected Metschnikowia pulcherrima MP1 is without any doubt one of the most promising ones.

EFFECT OF FERMENTATION TEMPERATURE GRADIENT AND SKIN CONTACT ON ESTER AND THIOL PRODUCTION AND TROPICAL FRUIT PERCEPTION IN CHARDONNAY WINES

Wines with tropical fruit aromas have become increasingly more available1,2. With increased availability of different wine styles, it has become important to understand the compounds that cause the fruity aromas in wine. Previous work using micro fermentations showed that fermentation temperature gradients and time on skins resulted in an increase in thiol and ester compounds post fermentation and these compounds are known to cause tropical fruit aroma in wines³. This work aimed to scale up these fermentations/operations to determine if the desired aromas could still be achieved and if there is a perceivable difference in tropical fruit aromas, liking, and emotional response in the wines at the consumer level.

ANTIOXIDANT CAPACITY OF INACTIVATED NON-SACCHAROMYCES YEASTS

The importance of the non-Saccharomyces yeasts (NSY) in winemaking has been extensively reviewed in the past for their aromatic or bioprotective capacity while, recently their antioxidant/antiradical potential has emerged under winemaking conditions. In the literature the antioxidant potential of NSY was solely explored through their capacity to improve glutathione (GSH) content during alcoholic fermen- tation [1], while more and more studies pointed out the activity of the non-glutathione soluble fraction released by yeasts [2].

NEW PLANT BIOPOLYMERS FOR THE COLLOIDAL STABILITY OF THE COLORING MATTER OF RED WINES

The color as well as the “clarity” of red wines are ones of the qualities required by the consumers. Red wines must have colloidal stability from its bottling to its consumption. The supplementation of red wines with additives, and especially Acacia senegal gum, contributes to its organoleptic properties such as the colloidal stabilization of the coloring matter. In a global perspective of limitation of additives in the field of enology, one of the objectives is notably (i) to reduce the use of additives in wines, by their number and/or their quantity, and (ii) to favor the use of natural additives while preserving the organoleptic and sensory qualities of wines.

Searching for the sweet spot: a focus on wine dealcoholization

It is well known that the vinification of grapes at full maturation can produce rich, full-bodied wines,
with intense and complex flavour profiles. However, the juice obtained from such grapes may have very
high sugar concentration, resulting in wines with an excessive concentration of ethanol. In addition, the decoupling between technological maturity and phenolic/aromatic one due to global warming, exacerbates this problem in some wine-growing regions. In parallel with the increase of the mean alcohol content of wines on the market, also the demand for reduced alcohol beverages has increased in recent years, mainly as a result of health and social concerns about the risks related to the consumption of alcohol.